3-Oxoandrosta-1,4-Dien-17-Yl Acetate

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Formula C21H28O3
IUPAC Name [(8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 328.445 g·mol−1
Heat of Formation -576.7 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 415.72 Å 3
Surface Area 335.08 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey KPCDGGNHYODURF-OLGWUGKESA-N
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Elements H C O